N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide

C16H13ClN4 — CID 68544894

IUPACN'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2nc(-c3cccc(Cl)c3)ncc2c1
InChIInChI=1S/C16H13ClN4/c1-10(18)20-14-5-6-15-12(8-14)9-19-16(21-15)11-3-2-4-13(17)7-11/h2-9H,1H3,(H2,18,20)
InChIKeyOLLKLDGQHBCKSZ-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.96
Rot. Bonds2

About N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide

N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide (PubChem CID 68544894) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide
PubChem CID68544894
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC NameN'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2nc(-c3cccc(Cl)c3)ncc2c1
InChIInChI=1S/C16H13ClN4/c1-10(18)20-14-5-6-15-12(8-14)9-19-16(21-15)11-3-2-4-13(17)7-11/h2-9H,1H3,(H2,18,20)
InChIKeyOLLKLDGQHBCKSZ-UHFFFAOYSA-N
XLogP3.96
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide?
The IUPAC name of N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide (CID 68544894) is N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide.
What is the SMILES notation for N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide?
The canonical SMILES for N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide is C/C(N)=N\c1ccc2nc(-c3cccc(Cl)c3)ncc2c1.
What is the InChIKey of N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide?
The InChIKey is OLLKLDGQHBCKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c1-10(18)20-14-5-6-15-12(8-14)9-19-16(21-15)11-3-2-4-13(17)7-11/h2-9H,1H3,(H2,18,20).
What are the key properties of N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide?
N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide has a molecular weight of 296.76 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenyl)quinazolin-6-yl]ethanimidamide is sourced from PubChem (CID 68544894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).